Large scale synthesis of FeS coated Fe nanoparticles as reusable magnetic photocatalysts

He, Feng; Si, Peng; Xiao, Xiao-Fei; Jin, Chen-Hao; Shan-xin, YU; Li, Zhengfa; Ge, Hongliang

doi:10.1007/s11706-013-0213-9

Cited by 8 publications

(9 citation statements)

References 14 publications

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“… 29 , 30 Like other 2D layered materials, for example, MoS 2 , FeS possesses a high specific surface area and reactive surfaces that are ideal for the uptake of aqueous contaminants. Furthermore, FeS nanoparticles can be synthesized easily, 31 − 35 which makes it a promising candidate for the treatment of groundwater and soil contaminated with arsenic, 14 − 18 selenium, 19 , 20 and heavy metals, including mercury, 21 − 23 and chromium. 24 − 26 …”

Section: Introductionmentioning

confidence: 99%

Structures and Properties of As(OH)₃ Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

Dzade

Roldán

Leeuw

2017

Environ. Sci. Technol.

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Reactive mineral–water interfaces exert control on the bioavailability of contaminant arsenic species in natural aqueous systems. However, the ability to accurately predict As surface complexation is limited by the lack of molecular-level understanding of As–water–mineral interactions. In the present study, we report the structures and properties of the adsorption complexes of arsenous acid (As(OH)3) on hydrated mackinawite (FeS) surfaces, obtained from density functional theory (DFT) calculations. The fundamental aspects of the adsorption, including the registries of the adsorption complexes, adsorption energies, and structural parameters are presented. The FeS surfaces are shown to be stabilized by hydration, as is perhaps to be expected because the adsorbed water molecules stabilize the low-coordinated surface atoms. As(OH)3 adsorbs weakly at the water–FeS(001) interface through a network of hydrogen-bonded interactions with water molecules on the surface, with the lowest-energy structure calculated to be an As–up outer-sphere complex. Compared to the water–FeS(001) interface, stronger adsorption was calculated for As(OH)3 on the water–FeS(011) and water–FeS(111) interfaces, characterized by strong hybridization between the S-p and O-p states of As(OH)3 and the surface Fe-d states. The As(OH)3 molecule displayed a variety of chemisorption geometries on the water–FeS(011) and water–FeS(111) interfaces, where the most stable configuration at the water–FeS(011) interface is a bidentate Fe–AsO–Fe complex, but on the water–FeS(111) interface, a monodentate Fe–O–Fe complex was found. Detailed information regarding the adsorption mechanisms has been obtained via projected density of states (PDOS) and electron density difference iso-surface analyses and vibrational frequency assignments of the adsorbed As(OH)3 molecule.

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Section: Introductionmentioning

confidence: 99%

Structures and Properties of As(OH)₃ Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

Dzade

Roldán

Leeuw

2017

Environ. Sci. Technol.

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“…FeS nanoparticles can be synthesized relatively easily, 36 − 39 which makes the material a promising candidate for environmental catalytic applications. Owing to its unique structure and surface chemical properties, FeS particles have been applied extensively in the treatment of groundwater and soil contaminated by arsenic 40 − 42 and heavy metals such as mercury 43 , 44 and chromium.…”

Section: Introductionmentioning

confidence: 99%

Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study

Dzade

Leeuw

2017

J. Phys. Chem. C

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Layered transition-metal chalcogenides have emerged as a fascinating new class of materials for catalysis. Here, we present periodic density functional theory (DFT) calculations of the adsorption of thiophene and the direct desulfurization reaction pathways on the (001), (011), and (111) surfaces of layered FeS. The fundamental aspects of the thiophene adsorption, including the initial adsorption geometries, adsorption energies, structural parameters, and electronic properties, are presented. From the calculated adsorption energies, we show that the flat adsorption geometries, wherein the thiophene molecule forms multiple π-bonds with the FeS surfaces, are energetically more favorable than the upright adsorption geometries, with the strength of adsorption decreasing in the order FeS(111) > FeS(011) > FeS(001). The adsorption of the thiophene onto the reactive (011) and (111) surfaces is shown to be characterized by charge transfer from the interacting Fe d-band to the π-system of the thiophene molecule, which causes changes of the intramolecular structure including loss of aromaticity and elongation of the C–S bonds. The thermodynamic and kinetic analysis of the elementary steps involved in the direct desulfurization of thiophene on the reactive FeS surfaces is also presented. Direct desulfurization of thiophene occurs preferentially on the (111) surface, as reflected by the overall exothermic reaction energy calculated for the process (ER = −0.15 eV), with an activation energy of 1.58 eV.

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“…In environmental applications, methods have been developed for large-scale synthesis of core–shell FeS NPs, involving FeS shells on zerovalent iron (ZVI) NPs. , …”

Section: Types and Characteristics Of Sulfur-bearing Fe-rich Nanopart...mentioning

confidence: 99%

“…In environmental applications, methods have been developed for large-scale synthesis of core−shell FeS NPs, involving FeS shells on zerovalent iron (ZVI) NPs. 71,72 ■ FORMATION OF SINPS IN NATURAL ENVIRONMENTS Natural sulfur-bearing Fe species occur in many natural environments, with iron sulfides being among the most extensively dispersed reduced S species found on Earth. For example, sulfur-bearing Fe-rich minerals are a common constituent of the lithosphere, being found in many types of geological bodies, such as ancient sedimentary rocks, modern sediments, mineral deposits, and submarine hydrothermal vent deposits.…”

Section: Pyrite (Fes 2 )mentioning

confidence: 99%

Nature-Inspired and Sustainable Synthesis of Sulfur-Bearing Fe-Rich Nanoparticles

O’Connor

Hou

Liu

et al. 2020

ACS Sustainable Chem. Eng.

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Sulfur-bearing Fe-rich nanoparticles (SINPs) have been subject to increased levels of interest because of their catalytic properties and other features. However, with increasing interest in greener and sustainable practice, traditional engineered routes to SINP synthesis have become a concern owing to their high energy and resource demand as well as the use of potentially hazardous or environmentally harmful reagents. Here, we aim to bring attention to emerging and burgeoning research across a wide range of disciplines on the formation of both naturally occurring and synthetic SINPs. First, various SINP types are described, and their most important characteristics are outlined. Second, the natural mechanisms of SINP formation are evaluated and their environmental significance explained, predominantly in hydrothermal vents and lithogenic environments, in order to help inspire new approaches to engineered synthesis. Third, an appraisal of various synthetic approaches for SINP assembly is presented, with a focus on green synthesis methods. One exemplar is the use of nature inspired biosynthesis, which has been increasingly explored for the fabrication of cost-effective and environmentally friendlier SINPs. Finally, potential future research directions leading to more sustainable SINP synthesis are put forward.

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Large scale synthesis of FeS coated Fe nanoparticles as reusable magnetic photocatalysts

Cited by 8 publications

References 14 publications

Structures and Properties of As(OH)₃ Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

Structures and Properties of As(OH)₃ Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study

Nature-Inspired and Sustainable Synthesis of Sulfur-Bearing Fe-Rich Nanoparticles

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Large scale synthesis of FeS coated Fe nanoparticles as reusable magnetic photocatalysts

Cited by 8 publications

References 14 publications

Structures and Properties of As(OH)3 Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

Structures and Properties of As(OH)3 Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

Adsorption and Desulfurization Mechanism of Thiophene on Layered FeS(001), (011), and (111) Surfaces: A Dispersion-Corrected Density Functional Theory Study

Nature-Inspired and Sustainable Synthesis of Sulfur-Bearing Fe-Rich Nanoparticles

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Structures and Properties of As(OH)₃ Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

Structures and Properties of As(OH)₃ Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study